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Data-driven molecular design for discovery and synthesis of novel ligands: a case study on SARS-CoV-2.

Jannis BornMatteo ManicaJoris CadowGreta MarkertNil Adell MillModestas FilipaviciusNikita JanakarajanAntonio CardinaleTeodoro LainoMaría Rodríguez Martínez
Published in: Mach. Learn. Sci. Technol. (2021)
Keyphrases
  • data driven
  • case study
  • design decisions
  • design process
  • design methodology
  • databases
  • neural network
  • website
  • collaborative learning
  • design space exploration